2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline

C11H10ClF6NO — CID 61492678

IUPAC2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
SMILESFC(F)(F)COCCNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H10ClF6NO/c12-8-3-1-2-7(11(16,17)18)9(8)19-4-5-20-6-10(13,14)15/h1-3,19H,4-6H2
InChIKeyMWGPMXRJENVHHS-UHFFFAOYSA-N
MW321.65 g/mol
LogP4.35
Rot. Bonds5

About 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline

2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline (PubChem CID 61492678) has the molecular formula C11H10ClF6NO and a molecular weight of 321.65 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
PubChem CID61492678
Molecular FormulaC11H10ClF6NO
Molecular Weight321.65 g/mol
Exact Mass321.04
IUPAC Name2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
SMILESFC(F)(F)COCCNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H10ClF6NO/c12-8-3-1-2-7(11(16,17)18)9(8)19-4-5-20-6-10(13,14)15/h1-3,19H,4-6H2
InChIKeyMWGPMXRJENVHHS-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 66253887
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201
2,6-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 83078949
3-[2-chloro-6-(trifluoromethyl)anilino]propanamide
CID 43152515
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenecarbothioamide
CID 63828669
N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031855
tert-butyl N-[3-[2-chloro-6-(trifluoromethyl)anilino]propyl]carbamate
CID 103821664
1,3-dichloro-2-[5-(2,2,2-trifluoroethoxy)pentoxy]benzene
CID 140992298
2-[[2-chloro-6-(trifluoromethyl)anilino]methyl]phenol
CID 28950675
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline (CID 61492678) is 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline is FC(F)(F)COCCNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline?
The InChIKey is MWGPMXRJENVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF6NO/c12-8-3-1-2-7(11(16,17)18)9(8)19-4-5-20-6-10(13,14)15/h1-3,19H,4-6H2.
What are the key properties of 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline?
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline has a molecular weight of 321.65 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 61492678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).